methyl 2-(2-methyl-4-oxidanyl-phenyl)-3-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]-1-benzothiophene-6-carboxylate

Systemtic Name: methyl 2-(2-methyl-4-oxidanyl-phenyl)-3-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]-1-benzothiophene-6-carboxylate Openeye Name: methyl 2-(4-hydroxy-2-methyl-phenyl)-3-[[4-[3-(1-piperidyl)propoxy]phenyl]methyl]benzothiophene-6-carboxylate CAS Name: 2-(4-hydroxy-2-methylphenyl)-3-[[4-[3-(1-piperidinyl)propoxy]phenyl]methyl]-1-benzothiophene-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(4-hydroxy-2-methylphenyl)-3-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]-1-benzothiophene-6-carboxylate Traditional Name: 2-(4-hydroxy-2-methyl-phenyl)-3-[4-(3-piperidinopropoxy)benzyl]benzothiophene-6-carboxylic acid methyl ester Formula: C32H35NO4S MolecularWeight: 529.6896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)O)C2=C(C3=C(S2)C=C(C=C3)C(=O)OC)CC4=CC=C(C=C4)OCCCN5CCCCC5

Isomeric SMILES

CC1=C(C=CC(=C1)O)C2=C(C3=C(S2)C=C(C=C3)C(=O)OC)CC4=CC=C(C=C4)OCCCN5CCCCC5

InChI

InChI=1S/C32H35NO4S/c1-22-19-25(34)10-14-27(22)31-29(28-13-9-24(32(35)36-2)21-30(28)38-31)20-23-7-11-26(12-8-23)37-18-6-17-33-15-4-3-5-16-33/h7-14,19,21,34H,3-6,15-18,20H2,1-2H3